methyl 4-[5-cyano-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[5-cyano-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[5-cyano-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzoate CAS Name: 4-[5-cyano-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-cyano-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzoate Traditional Name: 4-[5-cyano-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzoic acid methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C22H20N4O5/c1-28-17-9-16(10-18(29-2)20(17)30-3)25-22-24-12-15(11-23)19(26-22)13-5-7-14(8-6-13)21(27)31-4/h5-10,12H,1-4H3,(H,24,25,26)